TV9
Summary
| Name: | N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanecarboxamide |
| Formula: | C11 H14 N2 O |
| Formal charge: | 0 |
| Formula weight: | 190.242 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanecarboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(1~{S})-1-pyridin-3-ylethyl]cyclopropanecarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(NC(=O)C1CC1)c1cccnc1 |
| InChI | InChI | 1.06 | InChI=1S/C11H14N2O/c1-8(10-3-2-6-12-7-10)13-11(14)9-4-5-9/h2-3,6-9H,4-5H2,1H3,(H,13,14)/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | XMSIZXIEDPYJDR-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](NC(=O)C1CC1)c2cccnc2 |
| SMILES | CACTVS | 3.385 | C[CH](NC(=O)C1CC1)c2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1cccnc1)NC(=O)C2CC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1cccnc1)NC(=O)C2CC2 |
